Capecitabine-2',3'-cyclic carbonate

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For Research Use Only.
Category
Impurities
Cat.No.
NP3711
CAS
921769-65-5
Product Name
Capecitabine-2',3'-cyclic carbonate
Structure
Structure

Product Details

Description
Capecitabine related compound C is an impurity in Capecitabine, an antineoplastic agent. Capecitabine is a prodrug of Doxifluridine ).
Synonyms
5'-Deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine Cyclic 2',3'-Carbonate;
IUPAC Name
pentyl N-[1-[(3aS,4R,6R)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
Molecular Weight
385.35
Molecular Formula
C16H20FN3O7
Canonical SMILES
CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C3C(C(O2)C)OC(=O)O3
InChI
InChI=1S/C16H20FN3O7/c1-3-4-5-6-24-15(22)19-12-9(17)7-20(14(21)18-12)13-11-10(8(2)25-13)26-16(23)27-11/h7-8,10-11,13H,3-6H2,1-2H3,(H,18,19,21,22)/t8-,10?,11+,13-/m1/s1
InChIKey
VTAMAYSBXXKQPB-IZSYJUOESA-N
Melting Point
68-69°C
Purity
> 95%
Appearance
Off-White Solid
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